input word = C00053519

Metabolite InformationStructural formula
Name Murpaniculol senecioate
Formula C20H22O6
Mw 358.14163844
CAS RN 112667-48-8
C_ID C00053519
InChIKey DKKNKODNHDPWFD-UHFFFAOYSA-N
InChICode InChI=1S/C20H22O6/c1-11(2)10-16(22)26-20(18(23)12(3)4)17-14(24-5)8-6-13-7-9-15(21)25-19(13)17/h6-10,12,20H,1-5H3
SMILES COc1ccc2ccc(=O)oc2c1C(OC(=O)C=C(C)C)C(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya paniculata Ref.
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